2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-iodophenyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-iodophenyl)allylthio]-3-methyl-phenoxy]acetic acid Formula: C24H20I2O3S MolecularWeight: 642.28774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)O)SCC=C(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)O)SCC=C(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I

InChI

InChI=1S/C24H20I2O3S/c1-16-14-21(29-15-24(27)28)10-11-23(16)30-13-12-22(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-12,14H,13,15H2,1H3,(H,27,28)